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Maria Baias

Assistant Professor of Chemistry

    20062019
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    Research Output 2006 2019

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    Vibrational and DFT study of 5-(3-pyridyl-methylidene)-thiazolidine-2-thione-4-one

    Pîrnǎu, A., Chiş, V., Oniga, O., Leopold, N., Szabo, L., Baias, M. & Cozar, O., Nov 20 2008, In : Vibrational Spectroscopy. 48, 2, p. 289-296 8 p.

    Research output: Contribution to journalArticle

    Thiazolidines
    Sulfhydryl Compounds
    Density functional theory
    Molecules
    Molecular vibrations

    Ultrafast NMR T1 relaxation measurements: Probing molecular properties in real time

    Smith, P. E. S., Donovan, K. J., Szekely, O., Baias, M. & Frydman, L., Sep 16 2013, In : ChemPhysChem. 14, 13, p. 3138-3145 8 p.

    Research output: Contribution to journalArticle

    Xylose
    molecular properties
    Chemical shift
    Nuclear magnetic resonance
    nuclear magnetic resonance

    Thermal denaturation of hydrated wool keratin by 1H solid-state NMR

    Baias, M., Demco, D. E., Popescu, C., Fechete, R., Melian, C., Blümich, B. & Möller, M., Feb 19 2009, In : Journal of Physical Chemistry B. 113, 7, p. 2184-2192 9 p.

    Research output: Contribution to journalArticle

    keratins
    Keratin
    wool
    Denaturation
    biopolymer denaturation

    Synthesis, crystal structure, and solid-state NMR investigations of heteronuclear Zn/Co coordination networks - A comparative study

    Kuttatheyil, A. V., Lässig, D., Lincke, J., Kobalz, M., Baias, M., König, K., Hofmann, J., Krautscheid, H., Pickard, C. J., Haase, J. & Bertmer, M., Apr 15 2013, In : Inorganic Chemistry. 52, 8, p. 4431-4442 12 p.

    Research output: Contribution to journalArticle

    Crystal structure
    Nuclear magnetic resonance
    solid state
    nuclear magnetic resonance
    crystal structure

    Superstructure of a substituted zeolitic imidazolate metal-organic framework determined by combining proton solid-state NMR spectroscopy and DFT calculations

    Baias, M., Lesage, A., Aguado, S., Canivet, J., Moizan-Basle, V., Audebrand, N., Farrusseng, D. & Emsley, L., May 11 2015, In : Angewandte Chemie - International Edition. 54, 20, p. 5971-5976 6 p.

    Research output: Contribution to journalArticle

    Discrete Fourier transforms
    X ray powder diffraction
    Nuclear magnetic resonance spectroscopy
    Density functional theory
    Protons

    Structure and dynamics of water in native and tanned collagen fibers: Effect of crosslinking

    Fathima, N. N., Baias, M., Blumich, B. & Ramasami, T., Dec 1 2010, In : International Journal of Biological Macromolecules. 47, 5, p. 590-596 7 p.

    Research output: Contribution to journalArticle

    Crosslinking
    Collagen
    Water
    Fibers
    Dielectric relaxation

    Structure and dynamics of the Huntingtin Exon-1 N-Terminus: A solution NMR perspective

    Baias, M., Smith, P. E. S., Shen, K., Joachimiak, L. A., Zerko, S., Koźmiński, W., Frydman, J. & Frydman, L., Jan 25 2017, In : Journal of the American Chemical Society. 139, 3, p. 1168-1176 9 p.

    Research output: Contribution to journalArticle

    Exons
    Nuclear magnetic resonance
    Proteins
    Agglomeration
    Toxicity

    State of water in hybrid sulfonated poly(ether ether ketone) - silica membranes by 1H solid-state NMR

    Baias, M., Demco, D. E., Blümich, B. & Möller, M., Apr 29 2009, In : Chemical Physics Letters. 473, 1-3, p. 142-145 4 p.

    Research output: Contribution to journalArticle

    Polyether ether ketones
    ketones
    Silicon Dioxide
    ethers
    Nuclear magnetic resonance

    Segmental dynamic heterogeneity of short-chain grafted-poly(dimethylsiloxane) by 1H spin-diffusion NMR

    Bertmer, M., Demco, D. E., Wang, M., Melian, C., Marcean-Chelcea, R. I., Fechete, R., Baias, M. & Blümich, B., Nov 24 2006, In : Chemical Physics Letters. 431, 4-6, p. 404-409 6 p.

    Research output: Contribution to journalArticle

    diffusivity
    Nuclear magnetic resonance
    nuclear magnetic resonance
    distribution functions
    silicon dioxide

    Proton exchange in hybrid sulfonated poly(ether ether ketone)-silica membranes by 1H solid-state NMR

    Baias, M., Demco, D. E., Colicchio, I., Blümich, B. & Möller, M., May 5 2008, In : Chemical Physics Letters. 456, 4-6, p. 227-230 4 p.

    Research output: Contribution to journalArticle

    Polyether ether ketones
    ketones
    Silicon Dioxide
    Protons
    Enthalpy

    Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy

    Baias, M., Widdifield, C. M., Dumez, J. N., Thompson, H. P. G., Cooper, T. G., Salager, E., Bassil, S., Stein, R. S., Lesage, A., Day, G. M. & Emsley, L., Jun 7 2013, In : Physical Chemistry Chemical Physics. 15, 21, p. 8069-8080 12 p.

    Research output: Contribution to journalArticle

    Crystallography
    Powders
    Nuclear magnetic resonance spectroscopy
    crystallography
    Crystal structure

    Non-invasive spatial tissue discrimination in ancient mummies and bones in situ by portable nuclear magnetic resonance

    Rühli, F. J., Böni, T., Perlo, J., Casanova, F., Baias, M., Egarter, E. & Blümich, B., Jan 1 2007, In : Journal of Cultural Heritage. 8, 3, p. 257-263 7 p.

    Research output: Contribution to journalArticle

    diagnostic
    Bone
    discrimination
    Nuclear magnetic resonance
    Tissue

    Nanostructure of Materials Determined by Relayed Paramagnetic Relaxation Enhancement

    Schlagnitweit, J., Tang, M., Baias, M., Richardson, S., Schantz, S. & Emsley, L., Oct 7 2015, In : Journal of the American Chemical Society. 137, 39, p. 12482-12485 4 p.

    Research output: Contribution to journalArticle

    Cellulose films
    Organic polymers
    Nanostructures
    Particle Size
    Drug products

    Morphology of thermoplastic polyurethanes by1H spin-diffusion NMR

    Voda, M. A., Demco, D. E., Voda, A., Schauber, T., Adler, M., Dabisch, T., Adams, A., Baias, M. & Blümich, B., Jul 11 2006, In : Macromolecules. 39, 14, p. 4802-4810 9 p.

    Research output: Contribution to journalArticle

    Polyurethanes
    Thermoplastics
    Nuclear magnetic resonance
    Molecular weight
    Experiments

    Morphology and molecular mobility of fibrous hard a-keratins by 1H, 13C, and129Xe NMR

    Baias, M., Demco, D. E., Istrate, D., Popescu, C., Blümich, B. & Möller, M., Sep 3 2009, In : Journal of Physical Chemistry B. 113, 35, p. 12136-12147 12 p.

    Research output: Contribution to journalArticle

    keratins
    Keratin
    Keratins
    Nuclear magnetic resonance
    nuclear magnetic resonance

    Mobile NMR: An essential tool for protecting our cultural heritage

    Baias, M., Jan 1 2017, In : Magnetic Resonance in Chemistry. 55, 1, p. 33-37 5 p.

    Research output: Contribution to journalArticle

    Nuclear magnetic resonance
    Musical instruments
    Painting
    Conservation

    Influence of the silica content in SPEEK-silica membranes prepared from the sol-gel process of polyethoxysiloxane: Morphology and proton mobility

    Colicchio, I., Demco, D. E., Baias, M., Keul, H. & Moeller, M., Jul 15 2009, In : Journal of Membrane Science. 337, 1-2, p. 125-135 11 p.

    Research output: Contribution to journalArticle

    Polyether ether ketones
    Polymethyl Methacrylate
    sol-gel processes
    Ketones
    ketones

    Experimental and theoretical investigation of 5-para-fluoro-benziliden-tiazolidin-2tion-4-ona

    Baias, M., Pîrnǎu, A., Chiş, V., Cozar, O. & Vasilescu, M., Feb 1 2006, In : Journal of Optoelectronics and Advanced Materials. 8, 1, p. 205-207 3 p.

    Research output: Contribution to journalArticle

    Density functional theory
    Molecular vibrations
    streptococcus
    density functional theory
    Molecules

    Experimental and DFT investigation of 5-para-nitrobenziliden-tiazolidin-2- tion-4-ona

    Pirnau, A., Chis, V., Baias, M., Cozar, O., Vasilescu, M., Oniga, O. & Simon, S., Mar 1 2007, In : Journal of Optoelectronics and Advanced Materials. 9, 3, p. 547-550 4 p.

    Research output: Contribution to journalArticle

    Density functional theory
    density functional theory
    Molecules
    molecules
    Molecular vibrations

    Experimental and density functional theory investigation of some biomedical compounds

    Cozar, O., Chiş, V., David, L. & Baias, M., Feb 1 2006, In : Journal of Optoelectronics and Advanced Materials. 8, 1, p. 164-171 8 p.

    Research output: Contribution to journalArticle

    Pyrazinamide
    Pindolol
    Metoprolol
    Atenolol
    Verapamil

    Effects of aromatic substitution on the photodimerization kinetics of β-trans cinnamic acid derivatives studied with 13C solid-state NMR

    Fonseca, I., Baias, M., Hayes, S. E., Pickard, C. J. & Bertmer, M., Jun 7 2012, In : Journal of Physical Chemistry C. 116, 22, p. 12212-12218 7 p.

    Research output: Contribution to journalArticle

    Chemical shift
    tensor analysis
    Tensors
    chemical equilibrium
    Substitution reactions

    De novo determination of the crystal structure of a large drug molecule by crystal structure prediction-based powder NMR crystallography

    Baias, M., Dumez, J. N., Svensson, P. H., Schantz, S., Day, G. M. & Emsley, L., Nov 20 2013, In : Journal of the American Chemical Society. 135, 46, p. 17501-17507 7 p.

    Research output: Contribution to journalArticle

    Crystallography
    Powders
    Magnetic Resonance Spectroscopy
    Crystal structure
    Nuclear magnetic resonance

    Atomic-resolution structural dynamics in crystalline proteins from NMR and molecular simulation

    Mollica, L., Baias, M., Lewandowski, J. R., Wylie, B. J., Sperling, L. J., Rienstra, C. M., Emsley, L. & Blackledge, M., Dec 6 2012, In : Journal of Physical Chemistry Letters. 3, 23, p. 3657-3662 6 p.

    Research output: Contribution to journalArticle

    dynamic structural analysis
    Structural dynamics
    Nuclear magnetic resonance
    Crystalline materials
    proteins

    Assessment of collagen-based materials which are supports of cultural and historical objects

    Popescu, C., Budrugeac, P., Wortmann, F. J., Miu, L., Demco, D. E. & Baias, M., May 1 2008, In : Polymer Degradation and Stability. 93, 5, p. 976-982 7 p.

    Research output: Contribution to journalArticle

    collagens
    Collagen
    Denaturation
    biopolymer denaturation
    leather

    A solid-state NMR method to determine domain sizes in multi-component polymer formulations

    Schlagnitweit, J., Tang, M., Baias, M., Richardson, S., Schantz, S. & Emsley, L., Dec 1 2015, In : Journal of Magnetic Resonance. 261, p. 43-48 6 p.

    Research output: Contribution to journalArticle

    cellulose
    Polymers
    Nuclear magnetic resonance
    Cellulose derivatives
    solid state

    A polyrotaxanated covalent organic network based on viologen and cucurbit[7]uril

    Das, G., Sharma, S. K., Prakasam, T., Gándara, F., Mathew, R., Alkhatib, N., Saleh, N., Pasricha, R., Olsen, J. C., Baias, M., Kirmizialtin, S., Jagannathan, R. & Trabolsi, A., Dec 1 2019, In : Communications Chemistry. 2, 1, 106.

    Research output: Contribution to journalArticle

    Open Access
    Viologens
    Rotaxanes
    liquid
    Covalent bonds
    Imines

    Alterung von Polyethylen: Zerstörungsfreies Prüfen mit mobiler magnetischer Resonanz

    Translated title of the contribution: Aging of polyethylene: Non-destructive testing with mobile magnetic resonanceBlümich, B., Adams-Buda, A. & Baias, M., Feb 1 2007, GWF, Gas - Erdgas, 148, 2, p. 95-98 4 p.

    Research output: Contribution to specialist publicationArticle

    nondestructive testing
    Polyethylene
    Magnetic resonance
    Nondestructive examination
    nuclear magnetic resonance